Tunnistetiedot

NNAL-N-glucuronide

Ei ilmoitettu · C16H23N3O8

01Tunnistetiedot

Lazychem IDLC-40655
CAS RNEi ilmoitettu
PubChem CID53297450
Molecular formulaC16H23N3O8
Molecular weight385.37 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[1-hydroxy-4-[methyl(nitroso)amino]butyl]pyridin-1-ium-1-yl]oxane-2-carboxylate
InChIKeyVSVYJUYJFLYYSI-UKOUFMKDSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 53297450
Two-dimensional chemical structure of NNAL-N-glucuronide
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCN(CCCC(C1=C[N+](=CC=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)O)N=O
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Tila Intiassa

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimet ja suhteet

API ja emolääke

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    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet